SCHEMBL9523312

SCHEMBL9523312

Cn1nnc2ccc(C(c3ccc(Cl)cc3)n3ccnc3)cc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.65
CYP11B1 P15538 1/20 0.65
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP26A1 O43174 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP24A1 Q07973 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2352227 0.89 CYP19A1 (0.58) CYP19A1CYP11B1CYP3A4CYP26A1
SCHEMBL3873790 0.86 CYP19A1 (0.59) CYP19A1CYP11B1CYP3A4CYP2D6CYP1A2
SCHEMBL3875523 0.84 CYP19A1 (0.53) CYP19A1CYP11B1CYP3A4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL9523958 0.83 CYP19A1 (0.48) CYP19A1CYP11B1CYP3A4
SCHEMBL9524627 0.83 CYP19A1 (0.45) CYP19A1CYP11B1
SCHEMBL14092718 0.83 CYP19A1 (0.58) CYP19A1CYP11B1CYP3A4CYP2D6CYP1A2
Oxalic Acid SCHEMBL9524290 0.82 CYP19A1 (0.47) CYP19A1CYP11B1CYP3A4
SCHEMBL14092716 0.82 CYP19A1 (0.62) CYP19A1CYP11B1CYP3A4CYP2D6CYP1A2
SCHEMBL3884122 0.82 CYP19A1 (0.62) CYP19A1CYP11B1CYP3A4CYP2D6CYP1A2
Oxalic Acid SCHEMBL9867754 0.81 CYP19A1 (0.46) CYP19A1CYP11B1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed